Sergio Decherchi
Data Science & Computation Facility
Telefono
+39 010 2897 401
Research center
CCT@Morego
Biografia
All Publications
2023
Abate C., Decherchi S., Cavalli A.
Graph neural networks for conditional de novo drug design
Wiley Interdisciplinary Reviews: Computational Molecular Science
2023
Aguti R., Bernetti M., Bosio S., Decherchi S., Cavalli A.
On the allosteric puzzle and pocket crosstalk through computational means
Journal of Chemical Physics, vol. 158, (no. 16)
Article
Journal
2023
Decherchi S., Cavalli A.
Optimal Transport for Free Energy Estimation
Journal of Physical Chemistry Letters, vol. 14, (no. 6), pp. 1618-1625
2023
Decherchi S., Ciccotti G., Cavalli A.
Regularized Bennett and Zwanzig free energy estimators
Journal of Chemical Physics, vol. 158, (no. 12)
2022
Aguti R., Gardini E., Bertazzo M., Decherchi S., Cavalli A.
Probabilistic Pocket Druggability Prediction via One-Class Learning
Frontiers in Pharmacology, vol. 13